Benzoicacid, 2-amino-4,5-diethoxy-, methyl ester supplier

Name
METHYL 2-AMINO-4,5-DIETHOXYBENZOATE
EINECS
CAS No. 20197-71-1
Article Data1
CAS DataBase
Density 1.136 g/cm³
Solubility
Melting Point
Formula C₁₂H₁₇NO₄
Boiling Point 369 °C at 760 mmHg
Molecular Weight 239.271
Flash Point 161.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Anthranilic acid, 4,5-diethoxy-, methyl ester (8CI);Methyl 2-amino-4,5-diethoxybenzoate;Methyl 3,4-diethoxy-6-aminobenzoate;
PSA 70.78000
LogP 2.43400

Benzoicacid, 2-amino-4,5-diethoxy-, methyl ester Specification

The Benzoicacid, 2-amino-4,5-diethoxy-, methyl ester, with the CAS registry number 20197-71-1, is also known as Methyl 3,4-diethoxy-6-aminobenzoate. This chemical's molecular formula is C₁₂H₁₇NO₄ and molecular weight is 239.27. What's more, its systematic name is Methyl 2-amino-4,5-diethoxybenzoate and it belongs to the product category of Aromatic Esters.

Physical properties of Benzoicacid, 2-amino-4,5-diethoxy-, methyl ester are: (1)ACD/LogP: 2.84; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.84; (4)ACD/LogD (pH 7.4): 2.84; (5)ACD/BCF (pH 5.5): 85.32; (6)ACD/BCF (pH 7.4): 85.4; (7)ACD/KOC (pH 5.5): 838.91; (8)ACD/KOC (pH 7.4): 839.75; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 48 Å²; (13)Index of Refraction: 1.528; (14)Molar Refractivity: 64.88 cm³; (15)Molar Volume: 210.6 cm³; (16)Polarizability: 25.72×10^-24cm³; (17)Surface Tension: 40.3 dyne/cm; (18)Density: 1.136 g/cm³; (19)Flash Point: 161.9 °C; (20)Enthalpy of Vaporization: 61.57 kJ/mol; (21)Boiling Point: 369 °C at 760 mmHg; (22)Vapour Pressure: 1.22E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)c1c(cc(OCC)c(OCC)c1)N
(2)InChI: InChI=1/C12H17NO4/c1-4-16-10-6-8(12(14)15-3)9(13)7-11(10)17-5-2/h6-7H,4-5,13H2,1-3H3
(3)InChIKey: WYHBJUPMCJWBDD-UHFFFAOYSA-N

Product Name

METHYL 2-AMINO-4,5-DIETHOXYBENZOATE

Benzoicacid, 2-amino-4,5-diethoxy-, methyl ester Specification

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